4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol

C13H19F2NO2 — CID 64808141

IUPAC4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCOc1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO2/c1-3-16-13(2,9-17)6-7-18-10-4-5-11(14)12(15)8-10/h4-5,8,16-17H,3,6-7,9H2,1-2H3
InChIKeyHNESYGVDKHCDJF-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.09
Rot. Bonds7

About 4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol

4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol (PubChem CID 64808141) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol
PubChem CID64808141
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCOc1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO2/c1-3-16-13(2,9-17)6-7-18-10-4-5-11(14)12(15)8-10/h4-5,8,16-17H,3,6-7,9H2,1-2H3
InChIKeyHNESYGVDKHCDJF-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64802883
5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810959
5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527
2-(ethylamino)-2-methyl-4-(2-methylphenoxy)butan-1-ol
CID 64803345
5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 115493558
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64808680
2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 64804368
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
1-amino-6-(3,4-difluorophenoxy)-2-methylhexan-2-ol
CID 64814224
6-(3,4-difluorophenoxy)-2,2-dimethylhexanoic acid
CID 106714320
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
CID 64806267

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol (CID 64808141) is 4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol is CCNC(C)(CO)CCOc1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol?
The InChIKey is HNESYGVDKHCDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-16-13(2,9-17)6-7-18-10-4-5-11(14)12(15)8-10/h4-5,8,16-17H,3,6-7,9H2,1-2H3.
What are the key properties of 4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol?
4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64808141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).